[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone

C20H22FN5OS — CID 167759741

IUPAC[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
SMILESCSc1ncc(C(=O)N2CCCCC2c2cnn(C)c2)n1-c1ccc(F)cc1
InChIInChI=1S/C20H22FN5OS/c1-24-13-14(11-23-24)17-5-3-4-10-25(17)19(27)18-12-22-20(28-2)26(18)16-8-6-15(21)7-9-16/h6-9,11-13,17H,3-5,10H2,1-2H3
InChIKeyJRGRGERJCNRVRN-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.83
Rot. Bonds4

About [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone

[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone (PubChem CID 167759741) has the molecular formula C20H22FN5OS and a molecular weight of 399.50 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
PubChem CID167759741
Molecular FormulaC20H22FN5OS
Molecular Weight399.50 g/mol
Exact Mass399.15
IUPAC Name[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
SMILESCSc1ncc(C(=O)N2CCCCC2c2cnn(C)c2)n1-c1ccc(F)cc1
InChIInChI=1S/C20H22FN5OS/c1-24-13-14(11-23-24)17-5-3-4-10-25(17)19(27)18-12-22-20(28-2)26(18)16-8-6-15(21)7-9-16/h6-9,11-13,17H,3-5,10H2,1-2H3
InChIKeyJRGRGERJCNRVRN-UHFFFAOYSA-N
XLogP3.83
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbonyl]-N,N-dimethylpiperidine-4-carboxamide
CID 78779326
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
CID 51587969
[4-(dimethylamino)piperidin-1-yl]-[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]methanone
CID 60579827
cyclohexyl-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
CID 92566960
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95308695
(7-fluoro-2-methylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56825019
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 95569418
[1-[3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 33180217
[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 126855023
2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one
CID 92551768
3-(4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-2-methylsulfanylimidazole-4-carboxamide
CID 78809507
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 95336725

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone (CID 167759741) is [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone is CSc1ncc(C(=O)N2CCCCC2c2cnn(C)c2)n1-c1ccc(F)cc1.
What is the InChIKey of [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is JRGRGERJCNRVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5OS/c1-24-13-14(11-23-24)17-5-3-4-10-25(17)19(27)18-12-22-20(28-2)26(18)16-8-6-15(21)7-9-16/h6-9,11-13,17H,3-5,10H2,1-2H3.
What are the key properties of [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 399.50 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 167759741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).